[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate

CAS: 136-09-4

Molecular Formula	`C12H18N4O7P2S`
Molecular Weight	424.31 g/mol
LogP	-1.2
Topological Polar Surface Area	200.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	424.03714
Heavy Atoms	26
Complexity	565.0

Chemical Identifiers

CAS Number	136-09-4
SMILES	`CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]`
InChIKey	`AYEKOFBPNLCAJY-UHFFFAOYSA-N`

📖 Product Overview

[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate (CAS: 136-09-4) is a chemical compound with molecular formula C12H18N4O7P2S and molecular weight 424.31 g/mol. Its IUPAC systematic name is [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate. LogP -1.2 Topological Polar Surface Area 200.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 8 Exact Mass 424.03714 Heavy Atoms 26 Complexity 565.0 InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-N. SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate.

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